SCHEMBL7501002

SCHEMBL7501002

O=C(O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCN3)c2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 1.00
ITGAV P06756 17/20 1.00
ITGA2B P08514 17/20 1.00
ITGB1 P05556 8/20 0.90
ITGB5 P18084 8/20 0.90
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7500986 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7503065 0.95 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7503070 0.95 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7506959 0.88 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7506964 0.88 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502945 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502937 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6804276 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6804266 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500780 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP claimed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP claimed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP disclosed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed